Benzene, 1-(1,1-dimethylethyl)-4-isothiocyanato-


Chemical Name: Benzene, 1-(1,1-dimethylethyl)-4-isothiocyanato-
CAS Number: 19241-24-8
Product Number: AG002FX8(AGN-PC-0JMRE0)
Synonyms:
MDL No:
Molecular Formula: C11H13NS
Molecular Weight: 191.2926

Identification/Properties


Properties
BP:
275.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
191.292g/mol
XLogP3:
5.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
191.077g/mol
Monoisotopic Mass:
191.077g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301+H331-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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